terclim by ICS banner
IVES 9 IVES Conference Series 9 REVEALING THE ORIGIN OF BORDEAUX WINES WITH RAW 1D-CHROMATOGRAMS

REVEALING THE ORIGIN OF BORDEAUX WINES WITH RAW 1D-CHROMATOGRAMS

Abstract

Understanding the composition of wine and how it is influenced by climate or wine-making practices is a challenging issue. Two approaches are typically used to explore this issue. The first approach uses che-mical fingerprints, which require advanced tools such as high-resolution mass spectrometry and mul-tidimensional chromatography. The second approach is the targeted method, which relies on the widely available 1-D GC/MS, but involves integrating the areas under a few peaks which ends up using only a small fraction of the chromatogram.

Here, we employ state-of-the-art machine learning methods to optimize the analysis of 1-D GC/MS chromatograms. Specifically, we aim to determine whether these chromatograms contain valuable in-formation beyond the manually extracted peaks typically utilized in the targeted approach.

To explore those questions, we analyzed 4 different types of 1-D raw chromatograms (3 SIM and 1 full-scan) of 80 wines (12 vintages from 7 estates of the Bordeaux area. We first applied nonlinear dimensio-nality reduction techniques (T-SNE and UMAP) to the chromatograms to obtain 2D maps. In the resul-ting maps, wines of the same estates across multiple vintages tended to form clear clusters, whose spatial distribution reflected the geography of the Bordeaux wine region. This indicated that, for this particular set of wine, the raw chromatograms are highly informative about terroir and wine identity.

Next, we applied cross-validated classifiers to the raw chromatograms and found that we could recover perfectly well estates identity independent of vintage. By contrast, performance on vintage classifica-tion was much lower with a maximum performance of 50% correct.

Crucially, we found that the entire chromatogram is informative with respect to both of these variables. Thus, the extraction of specific peaks of the chromatogram to quantify the concentration of 32 known chemical compounds–discarding the rest of the chromatograms–led to worse classification perfor-mance, suggesting that estate identity is distributed over a large chemical spectrum, including many molecules that have yet to be identified.

In addition, the GC raw data can be used to predict the ratings of a professional wine critic (Robert Par-ker) above chance, thus suggesting that GC might also contain information about the organoleptic pro-perties of wine.

Overall, this study demonstrates the strong potential of raw chromatogram analysis for wine characte-rization and identification.

DOI:

Publication date: February 9, 2024

Issue: OENO Macrowine 2023

Type: Article

Authors

Michael Schartner¹, Jeff M. Beck², Justine Laboyrie³, Laurent Riquier³, Stephanie Marchand3*, Alexandre Pouget4*

1. Center for the Unknown. Champalimaud Institute. Lisbon. Portugal. 
2. Duke university. USA
3. Université de Bordeaux, ISVV, INRAE, UMR 1366 OENOLOGIE, 33140 Villenave d’Ornon, France
4. Département des neurosciences fondamentales. Université de Genève. Suisse. 

Contact the author*

Keywords

Machine learning, Wine composition, Sensorial classification, Terroir

Tags

IVES Conference Series | oeno macrowine 2023 | oeno-macrowine

Citation

Related articles…

ACIDIC AND DEMALIC SACCHAROMYCES CEREVISIAE STRAINS FOR MANAGING PROBLEMS OF ACIDITY DURING THE ALCOHOLIC FERMENTATION

In a recent study several genes controlling the acidification properties of the wine yeast Saccharomyces cerevisiae have been identified by a QTL approach [1]. Many of these genes showed allelic variations that affect the metabolism of malic acid and the pH homeostasis during the alcoholic fermentation. Such alleles have been used for driving genetic selection of new S. cerevisiae starters that may conversely acidify or deacidify the wine by producing or consuming large amount of malic acid [2]. This particular feature drastically modulates the final pH of wine with difference of 0.5 units between the two groups.

AROMA AND SENSORY CHARACTERIZATION OF XINOMAVRO RED WINES FROM DIFFERENT GREEK PROTECTED DESIGNATIONS OF ORIGIN, EFFECT OF TERROIR CHARACTERISTICS

The quality of wines has often been associated with their geographical area of production. The aim of this work was to characterize Protected Designation of Origin (PDO) Xinomavro red wines from different geographical areas of Amyndeon and Naoussa in Northern Greece, elaborated with variables that contribute to their differentiation, such as soil characteristics, altitude, monthly average temperature and rainfall.
Xinomavro fruit parcels from different vineyards within the two PDO zones (5 PDO Naoussa and 6 PDO Amyndeon) were vinified following a standard winemaking process. A total of 25 aroma compounds were quantified using gas chromatography-mass spectrometry (GC-MS) with simultaneous full scan and selected ion monitoring for data recording, and odor activity values (OAVs) were determined.

USE OF COLD LIQUID STABULATION AS AN OENOLOGICAL TECHNIQUE IN WHITE WINEMAKING: EFFECTS ON PHENOLIC, AROMATIC AND SENSORIAL COMPOSITION

The application of different winemaking techniques helps to modify the basic parameters, phenolic profile, and aroma components influencing the final wine quality. In particular, pre-fermentative processes aim to increase the extraction and preservation of grape native compounds. Among them, cold liquid stabulation (macération sur bourbes) consists in maintaining the grape juice on its lees, in suspended condition at low temperature (0-8 °C) for a variable time (generally from 7 to 21 days). The aim of this work is to apply the cold liquid stabulation on two Italian white grape varieties, Arneis and Cortese, to evaluate the impact on basic parameters, color, polyphenolic compounds (TPI), antioxidant power (DPPH), total polysaccharides, and free and glycosylated volatile compounds (GC-MS analysis) during and after the process.

EVALUATING WINEMAKING APPLICATIONS OF ULTRAFILTRATION TECHNOLOGY

Ultrafiltration is a process that fractionates mixtures using semipermeable membranes, primarily on the basis of molecular weight. Depending on the nominal molecular weight cut-off (MWCO) specifications of the membrane, smaller molecules pass through the membrane into the ‘permeate’, while larger molecules are retained and concentrated in the ‘retentate’. This study investigated applications of ultrafiltration technology for enhanced wine quality and profitability. The key objective was to establish to what extent ultrafiltration could be used to manage phenolic compounds (associated with astringency or bitterness) and proteins (associated with haze formation) in white wine.

INOCULATION OF THE SELECTED METSCHNIKOWIA PULCHERRIMA MP1 AS A BIOPROTECTIVE ALTERNATIVE TO SULFITES TO PREVENT BROWNING OF WHITE GRAPE MUST

Enzymatic browning (BE) of must is caused by polyphenol oxidases (PPOs), tyrosinase and laccase. Both PPOs can oxidize diphenols such as hydroxycinnamic acids (HA) to quinones, which can later polymerize to form melanins [1], which are responsible of BE in white wines and of oxidasic haze in red wines. SO₂ is the main tool used to protect must from BE thanks to its capacity to inhibit PPOs [2]. However, the current trend in winemaking is to reduce and even eliminate this unfriendly additive. Among the different possible alternatives for protecting must against BE, the inoculation with a selected Metschnikowia pulcherrima MP1 is without any doubt one of the most promising ones.